(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine

C7H8N2O — CID 135617987

IUPAC(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
SMILESC/C(=N\O)c1ccncc1
InChIInChI=1S/C7H8N2O/c1-6(9-10)7-2-4-8-5-3-7/h2-5,10H,1H3/b9-6+
InChIKeyOZJWWTXSMXGPMI-RMKNXTFCSA-N
MW136.15 g/mol
LogP1.28
Rot. Bonds1

About (NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine

(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine (PubChem CID 135617987) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is (NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
PubChem CID135617987
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
SMILESC/C(=N\O)c1ccncc1
InChIInChI=1S/C7H8N2O/c1-6(9-10)7-2-4-8-5-3-7/h2-5,10H,1H3/b9-6+
InChIKeyOZJWWTXSMXGPMI-RMKNXTFCSA-N
XLogP1.28
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
CID 15857248
N-[(Z)-prop-1-enyl]-1-pyridin-4-ylethanimine
CID 91982748
1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 5103525
(1-pyridin-4-ylethylideneamino) acetate
CID 585758
(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6271059
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
(NZ)-N-[1-(4-iodophenyl)ethylidene]hydroxylamine
CID 11470978
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
CID 24698005
(NZ)-N-[1-[2-(dimethylamino)-4-pyridinyl]ethylidene]hydroxylamine
CID 135746727
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide
CID 86152246

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine (CID 135617987) is (NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine is C/C(=N\O)c1ccncc1.
What is the InChIKey of (NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine?
The InChIKey is OZJWWTXSMXGPMI-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H8N2O/c1-6(9-10)7-2-4-8-5-3-7/h2-5,10H,1H3/b9-6+.
What are the key properties of (NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine?
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine has a molecular weight of 136.15 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine is sourced from PubChem (CID 135617987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).